Molecular Insights into the Homogeneous Melting of Methane Hydrates

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	Molecular Insights into the Homogeneous Melting of Methane Hydrates
	Liang, Shuai; Yi, Lizhi; Liang, Deqing
刊名	journal of physical chemistry c
	2014-12-11
卷号	118 期号:49 页码:28542-28547
英文摘要	although the melting of gas hydrates tends to be heterogeneous in most cases, in principle, this process can also be homogeneous when surface melting is properly inhibited. in this work, we investigated the molecular mechanisms of the homogeneous melting of superheated methane hydrates by means of molecular dynamics simulations. the homogeneous melting processes were found to be stochastic with varied induction times. we observed the formation of structural defects within the hydrogen-bonded water lattices of hydrate crystals during the induction times. the methane molecules were found to be relatively more stable within the gas hydrate phases, which might be responsible for the high stability of the superheated metastable methane hydrates. although the melting processes involve the collective motion of water and methane molecules, the current work suggests that the migration and aggregation of methane molecules are critical in initiating the homogeneous melting of gas hydrate crystals.
WOS标题词	science & technology ; physical sciences ; technology
类目[WOS]	chemistry, physical ; nanoscience & nanotechnology ; materials science, multidisciplinary
研究领域[WOS]	chemistry ; science & technology - other topics ; materials science
关键词[WOS]	dynamics simulations ; anomalous preservation ; orientational defects ; carbon-dioxide ; dissociation ; ice ; nucleation ; clathrate ; water ; hydrogen
收录类别	SCI
语种	英语
WOS记录号	WOS:000346321700025
内容类型	期刊论文
源URL	[http://ir.giec.ac.cn/handle/344007/10760]
专题	中国科学院广州能源研究所
作者单位	Chinese Acad Sci, Key Lab Gas Hydrate, Guangzhou Inst Energy Convers, Guangzhou 510640, Guangdong, Peoples R China
推荐引用方式 GB/T 7714	Liang, Shuai,Yi, Lizhi,Liang, Deqing. Molecular Insights into the Homogeneous Melting of Methane Hydrates[J]. journal of physical chemistry c,2014,118(49):28542-28547.
APA	Liang, Shuai,Yi, Lizhi,&Liang, Deqing.(2014).Molecular Insights into the Homogeneous Melting of Methane Hydrates.journal of physical chemistry c,118(49),28542-28547.
MLA	Liang, Shuai,et al."Molecular Insights into the Homogeneous Melting of Methane Hydrates".journal of physical chemistry c 118.49(2014):28542-28547.